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Information for RPM ergo-3.8.2-1.fc40.riscv64.rpm

ID1139433
Nameergo
Version3.8.2
Release1.fc40
Epoch
Archriscv64
SummaryA program for large-scale self-consistent field calculations
DescriptionErgo is a quantum chemistry program for large-scale self-consistent field calculations. Key features of the Ergo program: * Performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory. * Uses Gaussian basis sets. * Both core and valence electrons are included in the calculations. * Both restricted and unrestricted models are implemented for energy calculations. * Implements a broad range of both pure and hybrid Kohn-Sham density functionals. * Employs modern linear scaling techniques like fast multipole methods, hierarchic sparse matrix algebra, density matrix purification, and efficient integral screening. * Linear scaling is achieved not only in terms of CPU usage but also memory utilization. * The time consuming parts of the code are currently parallelized using the shared-memory paradigm. Linear response calculations of polarizabilities and excitation energies are possible for the restricted reference density, although complete linear scaling is in the current implementation not achieved since full dense matrices are still used in parts of the linear response implementation.
Build Time2023-12-06 23:01:32 GMT
Size1.58 MB
5db1b0affb132d8d8e0ade2e09a175b4
LicenseGPLv3+
Buildrootf40-build-756534-118788
Provides
ergo = 3.8.2-1.fc40
ergo(riscv-64) = 3.8.2-1.fc40
Obsoletes No Obsoletes
Conflicts No Conflicts
Requires
ld-linux-riscv64-lp64d.so.1()(64bit)
ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit)
libc.so.6()(64bit)
libc.so.6(GLIBC_2.27)(64bit)
libc.so.6(GLIBC_2.33)(64bit)
libc.so.6(GLIBC_2.34)(64bit)
libc.so.6(GLIBC_2.38)(64bit)
libflexiblas.so.3()(64bit)
libgcc_s.so.1()(64bit)
libgcc_s.so.1(GCC_3.0)(64bit)
libgcc_s.so.1(GCC_3.4)(64bit)
libgomp.so.1()(64bit)
libgomp.so.1(GOMP_1.0)(64bit)
libgomp.so.1(GOMP_4.0)(64bit)
libgomp.so.1(GOMP_4.5)(64bit)
libgomp.so.1(OMP_1.0)(64bit)
libm.so.6()(64bit)
libm.so.6(GLIBC_2.27)(64bit)
libstdc++.so.6()(64bit)
libstdc++.so.6(CXXABI_1.3)(64bit)
libstdc++.so.6(CXXABI_1.3.8)(64bit)
libstdc++.so.6(CXXABI_1.3.9)(64bit)
libstdc++.so.6(GLIBCXX_3.4)(64bit)
libstdc++.so.6(GLIBCXX_3.4.11)(64bit)
libstdc++.so.6(GLIBCXX_3.4.15)(64bit)
libstdc++.so.6(GLIBCXX_3.4.20)(64bit)
libstdc++.so.6(GLIBCXX_3.4.21)(64bit)
libstdc++.so.6(GLIBCXX_3.4.26)(64bit)
libstdc++.so.6(GLIBCXX_3.4.29)(64bit)
libstdc++.so.6(GLIBCXX_3.4.30)(64bit)
libstdc++.so.6(GLIBCXX_3.4.32)(64bit)
libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
rpmlib(PayloadFilesHavePrefix) <= 4.0-1
rpmlib(PayloadIsZstd) <= 5.4.18-1
rtld(GNU_HASH)
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
Page:
1 through 50 of 136 >>>
Name ascending sort Size
/usr/bin/ergo2.18 MB
/usr/lib/.build-id0.00 B
/usr/lib/.build-id/ec0.00 B
/usr/lib/.build-id/ec/f36015453f5bbec44e0bc09999e9c6e484f2e924.00 B
/usr/share/doc/ergo0.00 B
/usr/share/doc/ergo/README1.58 KB
/usr/share/doc/ergo/ergo_release_notes_3_8.txt715.00 B
/usr/share/doc/ergo/ergo_release_notes_3_8_1.txt542.00 B
/usr/share/doc/ergo/ergo_release_notes_3_8_2.txt652.00 B
/usr/share/ergo0.00 B
/usr/share/ergo/basis0.00 B
/usr/share/ergo/basis/3-21++G19.64 KB
/usr/share/ergo/basis/3-21++Gs19.17 KB
/usr/share/ergo/basis/3-21G91.82 KB
/usr/share/ergo/basis/3-21Gs13.91 KB
/usr/share/ergo/basis/4-31G10.56 KB
/usr/share/ergo/basis/6-31++G28.30 KB
/usr/share/ergo/basis/6-31++Gs30.33 KB
/usr/share/ergo/basis/6-31++Gss30.45 KB
/usr/share/ergo/basis/6-31+G28.16 KB
/usr/share/ergo/basis/6-311++G_2d,2p_15.89 KB
/usr/share/ergo/basis/6-311++Gss14.93 KB
/usr/share/ergo/basis/6-311+Gs15.10 KB
/usr/share/ergo/basis/6-311G97.40 KB
/usr/share/ergo/basis/6-311Gs36.74 KB
/usr/share/ergo/basis/6-311Gss93.88 KB
/usr/share/ergo/basis/6-31G31.51 KB
/usr/share/ergo/basis/6-31Gfixed29.21 KB
/usr/share/ergo/basis/6-31Gs45.16 KB
/usr/share/ergo/basis/6-31Gss34.68 KB
/usr/share/ergo/basis/Ahlrichs-Coulomb-Fit119.04 KB
/usr/share/ergo/basis/Ahlrichs-TZV69.11 KB
/usr/share/ergo/basis/Ahlrichs-VDZ42.52 KB
/usr/share/ergo/basis/Ahlrichs-VTZ55.71 KB
/usr/share/ergo/basis/Ahlrichs-pVDZ54.12 KB
/usr/share/ergo/basis/AhlrichsDenFit19.41 KB
/usr/share/ergo/basis/AhlrichsVDZ42.51 KB
/usr/share/ergo/basis/AhlrichsVTZ55.47 KB
/usr/share/ergo/basis/Almlof-Taylor-ANO19.01 KB
/usr/share/ergo/basis/DunningDZ14.35 KB
/usr/share/ergo/basis/DunningTZ9.71 KB
/usr/share/ergo/basis/ECP50.84 KB
/usr/share/ergo/basis/ECP_pseudo63.60 KB
/usr/share/ergo/basis/GAMESS-PVTZ10.55 KB
/usr/share/ergo/basis/GAMESS-VTZ25.25 KB
/usr/share/ergo/basis/Huckel64.29 KB
/usr/share/ergo/basis/Huz-II9.17 KB
/usr/share/ergo/basis/Huz-III13.83 KB
/usr/share/ergo/basis/Huz-IIIsu325.12 KB
/usr/share/ergo/basis/Huz-IIsu216.04 KB
Component of No Buildroots